CCOC(=O)C1(c2ccccc2)CCC=CC1Cl
SMILES: CCOC(=O)C1(c2ccccc2)CCC=CC1Cl

Molecular Processing

Molecular formula
C15H17ClO2
Molecular weight
264.75
Exact mass
264.0917
XLogP
3.44
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
72.77

Supplementary Information

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